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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peroxisome proliferator-activated receptor delta' and Ligand = 'BDBM50244656'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50244656
PNG
((S)-2-(3-((3-(4-methoxybenzoyl)-2,6-dimethyl-1H-py...)
Show SMILES COc1ccc(cc1)C(=O)c1c(C)n(Cc2cccc(O[C@@H](C)C(O)=O)c2)c2nc(C)ccc12 |r|
Show InChI InChI=1S/C27H26N2O5/c1-16-8-13-23-24(25(30)20-9-11-21(33-4)12-10-20)17(2)29(26(23)28-16)15-19-6-5-7-22(14-19)34-18(3)27(31)32/h5-14,18H,15H2,1-4H3,(H,31,32)/t18-/m0/s1
PDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to PPARdelta


Bioorg Med Chem Lett 18: 4798-801 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.103
BindingDB Entry DOI: 10.7270/Q2BC3ZC5
More data for this
Ligand-Target Pair